new index atom name original index 1 C 5 2 C 6 3 C 7 4 C 3 5 C 2 6 N 4 7 O 1 8 H 11 9 H 12 10 H 13 11 H 15 12 H 14 13 H 16 14 H 17 15 H 18 16 H 19 17 H 9 18 H 10 19 H 8